2-[5-(trifluoromethyl)thiophen-2-yl]ethan-1-amine

• ChemBase ID: 801563
• Molecular Formular: C7H8F3NS
• Molecular Mass: 195.2053296
• Monoisotopic Mass: 195.03295492
• SMILES: C(Cc1sc(cc1)C(F)(F)F)N
• Canonical SMILES: NCCc1ccc(s1)C(F)(F)F
• InChI: InChI=1S/C7H8F3NS/c8-7(9,10)6-2-1-5(12-6)3-4-11/h1-2H,3-4,11H2
• InChIKey: PRYRJWHPSRLJDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(trifluoromethyl)thiophen-2-yl]ethan-1-amine
• IUPAC Traditional name: 2-[5-(trifluoromethyl)thiophen-2-yl]ethanamine
• Synonyms: 2-[5-(TRIFLUOROMETHYL)THIEN-2-YL]ETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.68387645
• LogD (pH = 7.4): 0.19646044
• Log P: 2.3108447
• Molar Refractivity: 42.0445 cm^3
• Polarizability: 15.388664 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%